Registration Dossier

Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
28 November 2011- 03 February 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study has been performed according to OECD and EC guidelines and according to the principles of GLP.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
Version / remarks:
(2001)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC estimation method
Media:
other: mobile phase 30/70 (v/v) methanol/water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Physical state: Clear colourless viscous liquid - Stability under test conditions: Stable- Storage condition of test material: At room temperature in the dark

Study design

HPLC method

Details on study design: HPLC method:
CALCULATION of PKANo pKa values in the pH range 1-14 (Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International San Francisco, CA, USA)). HPLC METHOD CONDITIONS:Instrument:   Alliance Separation Module 2695 (Waters, USA)Detector:    Dual λ Absorbance Detector 2487 (Waters)Column :     Hypersil BDS-CN, 150 mmx4.6 mm i.d., dp = 5 µm (Thermo Fisher Scientific, USA)Column temperature :  35°C±1°CMobile phase :   30/70 (v/v) methanol/water (not buffered)Flow:    1 ml/minInjection volume:   10 µlUV detection:   210 nm REFERENCE SUBSTANCES:Name, Purity, CAS number and log Koc values (according to the OECD 121):-Acetanilide, > 99.9%, CAS 103-84-4, log Koc 1.26-Atrazine, 97.5%, CAS 1912-24-9, log Koc 1.81-Monuron, 99.9%, CAS 150-68-5, log Koc 1.99-2,5-Dichloroaniline, 99.8%, CAS 95-82-9, log Koc 2.55-Benzoic acid phenylester, 99.9%, CAS 93-99-2, log Koc 2.87-Fenthion, 98.3%, CAS 55-38-9, log Koc 3.31-Phenanthrene, 98.1%, CAS 85-01-8, log Koc 4.09-4,4’-DDT, 98.2%, CAS 50-29-3, log Koc 5.63 PREPARATION OF SOLUTIONSStock solutions of the reference substances at concentrations of approximately 1 g/l in methanol were used. The stock solutions were diluted to obtain an end solution of 30/70 (v/v) methanol/water. A 3400 mg/l stock solution of the test substance was prepared in methanol. The stock solution was diluted to obtain an end solution of 30/70 (v/v) methanol/water. The final concentration of the test substance solution was 1020 mg/l.A 4.81 g/l stock solution of the unretained compound formamide (99.8%) in methanol was used. The stock solution was diluted to obtain an end solution of 30/70 (v/v) methanol/water. PERFORMANCE OF THE TESTThe reference substance and test substance solutions were injected in duplicate. Blank solutions (30/70 (v/v) methanol/water) were analysed by single injection. The capacity factor (k') of each compound was calculated from its retention time. The log k’ values of the references substances were plotted against the known log Koc values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The log Koc value for the test substance was calculated by substituting its mean log k’ in the calibration curve.

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
1.79
Temp.:
35 °C
Remarks on result:
other: Peak 5 (68% area)
Type:
log Koc
Value:
>= 0.45 - <= 3.1
Temp.:
35 °C
Remarks on result:
other: 12 peaks (peak areas ranging from 0.24% to 17%)

Results: HPLC method

Details on results (HPLC method):
In the HPLC chromatogram of the test solution, one major peak (peak 5) and several small test substance peaks were observed. Individual results: see table below. The equation of the regression line was: log k’ = 0.273 x log Koc– 1.13 (r = 0.98, n = 16). Chromatograms and regression line: see attachment.

Any other information on results incl. tables

Table: Kocof the test substance

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Koc

Koc

Area
%

 

 

 

 

 

 

 

Formamide

1.997

2.000

1.999

 

 

 

 

 

 

 

 

 

 

Acetanilide

2.840

2.838

 

1.26

 

 

Atrazine

4.210

4.205

 

1.81

 

 

Monuron

4.108

4.106

 

1.99

 

 

2,5-Dichloroaniline

5.310

5.308

 

2.55

 

 

Benzoic acid phenylester

9.355

9.359

 

2.87

 

 

Fenthion

20.860

20.874

 

3.31

 

 

Phenantrene

19.307

19.335

 

4.09

 

 

 

 

 

 

 

 

 

NS203563 Peak1

2.383

2.384

2.384

0.45

2.8

0.38

NS203563 Peak2

2.806

2.806

2.806

1.09

1.2 x 101

8.3

NS203563 Peak3

3.202

3.203

3.203

1.43

2.7 x 101

0.68

NS203563 Peak4

3.468

3.468

3.468

1.61

4.0 x 101

17

NS203563 Peak5

3.810

3.810

3.810

1.79

6.1 x 101

68

NS203563 Peak6

4.361

4.361

4.361

2.02

1.0 x 102

1.3

NS203563 Peak7

5.429

5.422

5.426

2.34

2.2 x 102

0.24

NS203563 Peak8

6.293

6.296

6.295

2.54

3.4 x 102

3.3

NS203563 Peak9

6.665

6.600

6.633

2.60

4.0 x 102

0.43

NS203563 Peak10

7.214

7.213

7.214

2.70

5.1 x 102

3.2

NS203563 Peak11

7.783

7.780

7.782

2.79

6.2 x 102

2.7

NS203563 Peak12

9.352

9.352

9.352

3.00

1.0 x 103

6.3

NS203563 Peak13

10.273

10.172

10.223

3.10

1.3 x 103

0.85

 

 

Applicant's summary and conclusion

Conclusions:
The log Kow for the major component in bis(2,3-epoxypropyl) cyclohexane-1,2-dicarboxylate is 1.79. The log Pow for 12 minor components ranges from 0.45 to 3.1.